HMDB0286898 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 136135 0 0 0 0 0 0 0 0999 V2000 -1.0437 5.6537 -7.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 5.5916 -6.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 4.4592 -5.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 4.5447 -4.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 5.7628 -3.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 6.0735 -2.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 5.3472 -2.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 4.0222 -3.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 3.0993 -2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 2.3703 -1.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 2.4166 -2.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 1.0007 -2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 0.4695 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3775 1.0536 -1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 0.2458 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -1.1928 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1047 -1.9805 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 -1.8696 1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -1.0194 2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -2.6128 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 -2.3569 1.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -3.1703 1.5606 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9976 -2.9322 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -3.7236 -0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 -3.6125 -1.7665 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3651 -5.0454 -2.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 -2.8546 -2.6700 O 0 0 0 0 0 1 0 0 0 0 0 0 0.0023 -2.7963 -2.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 -2.7531 -3.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -2.0289 -3.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -2.5540 -2.9978 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9144 -2.5707 -3.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -3.9161 -2.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -1.7130 -1.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 -2.8340 2.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 -3.6871 3.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 -4.9331 2.9948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 -3.3871 4.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 -3.2319 3.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 -2.1099 2.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 -2.1640 1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 -1.1436 1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3212 0.0304 1.9599 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4276 0.7373 1.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 0.9216 2.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 0.9637 1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9647 1.8752 1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0821 1.9153 1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 1.1241 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4627 0.1700 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2492 -0.1839 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 0.3065 2.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1105 -0.1601 3.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0746 0.3464 4.6890 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8826 -0.4498 5.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6768 0.3913 5.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 0.9107 6.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 0.2662 7.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 -1.0752 7.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 -1.0863 8.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 6.4360 -8.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 4.6990 -8.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 5.8937 -7.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 5.3987 -7.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3139 6.5609 -6.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 3.4382 -6.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 3.6112 -4.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 5.7974 -3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 6.6855 -4.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 7.1015 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 5.7194 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 4.1747 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 3.6428 -4.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 3.0385 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 1.6965 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 2.9896 -3.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 2.7953 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 0.4844 -3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -0.5725 -2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3508 0.8226 -2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4224 2.1131 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 0.2580 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3065 0.7027 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8893 -1.2017 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 -1.7002 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3623 -3.0276 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9278 -1.5109 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 -1.2751 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9046 -2.6080 2.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 -4.2813 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8019 -3.2891 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 -1.8516 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5091 -2.2692 -3.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -3.8075 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 -1.9559 -4.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.9597 -3.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8268 -2.4248 -3.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -3.5553 -4.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -1.8182 -4.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1658 -4.5839 -3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -4.3077 -2.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 -3.9004 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -2.2081 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -1.5597 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -0.7555 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -2.5310 4.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 -4.2517 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -3.2315 4.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 -4.2375 3.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9864 -1.1795 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 -2.1860 2.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 -3.0561 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 -1.1988 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 -0.3337 2.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 1.1175 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.5858 3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 0.3189 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 2.5448 2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 2.6653 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 0.7368 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 1.9159 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 -0.3225 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0067 -0.9490 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 1.0063 2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8313 -0.8959 2.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4764 1.3859 4.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -0.4150 6.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1106 -0.5252 5.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0668 1.1823 4.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2175 1.9211 6.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5734 0.7604 8.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7327 -1.5422 6.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 -1.7100 8.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 -2.0764 8.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5309 -1.0192 9.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -0.3188 7.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 6 23 91 1 0 23 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 32 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 34105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 1 44115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 51123 1 0 52124 1 0 53125 1 0 54126 1 6 55127 1 0 56128 1 0 56129 1 0 57130 1 0 58131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 60136 1 0 M CHG 2 27 -1 31 1 M END